3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one

C18H17BrN2O — CID 23823532

IUPAC3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C18H17BrN2O/c1-12(2)11-21-16-9-4-3-8-15(16)17(18(21)22)20-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3/b20-17-
InChIKeyRTYYIGVWJRMKMR-JZJYNLBNSA-N
MW357.25 g/mol
LogP4.57
Rot. Bonds3

About 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one

3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one (PubChem CID 23823532) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one
PubChem CID23823532
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C18H17BrN2O/c1-12(2)11-21-16-9-4-3-8-15(16)17(18(21)22)20-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3/b20-17-
InChIKeyRTYYIGVWJRMKMR-JZJYNLBNSA-N
XLogP4.57
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one?
The IUPAC name of 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one (CID 23823532) is 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one is CC(C)CN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21.
What is the InChIKey of 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one?
The InChIKey is RTYYIGVWJRMKMR-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-12(2)11-21-16-9-4-3-8-15(16)17(18(21)22)20-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3/b20-17-.
What are the key properties of 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one?
3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one has a molecular weight of 357.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 23823532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).